19-Nor-17a-pregna-1,3,5(10)-trien-20-yne-3,17-diol 3-(2-propanesulfonate)
[CAS# 28913-23-7]

Identification

• Name: 19-Nor-17a-pregna-1,3,5(10)-trien-20-yne-3,17-diol 3-(2-propanesulfonate)
• Synonyms: Propane-2-Sulfonic Acid [(8R,9S,13S,14S,17R)-17-Ethynyl-17-Hydroxy-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 17Alpha-Ethinyl-3-Isopropylsulfonyloxyestradiol; 19-Norpregna-1,3,5(10)-Trien-20-Yne-3,17-Diol, 3-(2-Propanesulfonate), (17Alpha)-
• Molecular Formula: C₂₃H₃₀O₄S
• Molecular Weight: 402.55
• CAS Registry Number: 28913-23-7
• SMILES: [C@H]34[C@H]1[C@@H](C2=C(CC1)C=C(O[S](=O)(=O)C(C)C)C=C2)CC[C@@]3([C@@](O)(CC4)C#C)C
• InChI: 1S/C23H30O4S/c1-5-23(24)13-11-21-20-8-6-16-14-17(27-28(25,26)15(2)3)7-9-18(16)19(20)10-12-22(21,23)4/h1,7,9,14-15,19-21,24H,6,8,10-13H2,2-4H3/t19-,20-,21+,22+,23+/m1/s1
• InChIKey: KPEUDULLQDHKAZ-VROINQGHSA-N